(2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide CAS Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(2-phenylphenyl)propionamide Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H27N3O2/c1-19(26(31)28-23-12-6-5-11-22(23)20-9-3-2-4-10-20)30-17-15-21(16-18-30)27-29-24-13-7-8-14-25(24)32-27/h2-14,19,21H,15-18H2,1H3,(H,28,31)/p+1/t19-/m1/s1